2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol

C20H14ClFN2O2 — CID 163233753

IUPAC2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
SMILESCOc1cc2c(cnn2-c2ccc(-c3ccc(O)c(Cl)c3)cc2)cc1F
InChIInChI=1S/C20H14ClFN2O2/c1-26-20-10-18-14(9-17(20)22)11-23-24(18)15-5-2-12(3-6-15)13-4-7-19(25)16(21)8-13/h2-11,25H,1H3
InChIKeyHTLQNSGXXOPJQH-UHFFFAOYSA-N
MW368.80 g/mol
LogP5.20
Rot. Bonds3

About 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol

2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol (PubChem CID 163233753) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
PubChem CID163233753
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC Name2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
SMILESCOc1cc2c(cnn2-c2ccc(-c3ccc(O)c(Cl)c3)cc2)cc1F
InChIInChI=1S/C20H14ClFN2O2/c1-26-20-10-18-14(9-17(20)22)11-23-24(18)15-5-2-12(3-6-15)13-4-7-19(25)16(21)8-13/h2-11,25H,1H3
InChIKeyHTLQNSGXXOPJQH-UHFFFAOYSA-N
XLogP5.20
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol?
The IUPAC name of 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol (CID 163233753) is 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol.
What is the SMILES notation for 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol?
The canonical SMILES for 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol is COc1cc2c(cnn2-c2ccc(-c3ccc(O)c(Cl)c3)cc2)cc1F.
What is the InChIKey of 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol?
The InChIKey is HTLQNSGXXOPJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c1-26-20-10-18-14(9-17(20)22)11-23-24(18)15-5-2-12(3-6-15)13-4-7-19(25)16(21)8-13/h2-11,25H,1H3.
What are the key properties of 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol?
2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol has a molecular weight of 368.80 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol is sourced from PubChem (CID 163233753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).